N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide

C21H27NO2 — CID 53266463

IUPACN-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-18-9-11-19(12-10-18)22-21(23)17(4)24-20-13-8-15(2)14-16(20)3/h8-14,17H,5-7H2,1-4H3,(H,22,23)
InChIKeyJYTWGQWTSCCITE-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.05
Rot. Bonds7

About N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide

N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide (PubChem CID 53266463) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
PubChem CID53266463
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
SMILESCCCCc1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)cc1
InChIInChI=1S/C21H27NO2/c1-5-6-7-18-9-11-19(12-10-18)22-21(23)17(4)24-20-13-8-15(2)14-16(20)3/h8-14,17H,5-7H2,1-4H3,(H,22,23)
InChIKeyJYTWGQWTSCCITE-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
(2S)-N-(4-butylphenyl)-2-(2,4-dibromophenoxy)propanamide
CID 40736851
(2R)-2-(2,4-dimethylphenoxy)-N-(4-iodophenyl)propanamide
CID 1019958
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)hexanamide
CID 20665661
(2R)-2-(2,4-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 40769007
2-(2-tert-butylphenoxy)-N-(4-butylphenyl)propanamide
CID 53266516
1-(4-butylphenyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870572
(2S)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837580
(2R)-2-(2,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 837579
(2R)-N-(3,4-difluorophenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 9173713

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The IUPAC name of N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide (CID 53266463) is N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide is CCCCc1ccc(NC(=O)C(C)Oc2ccc(C)cc2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide?
The InChIKey is JYTWGQWTSCCITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-6-7-18-9-11-19(12-10-18)22-21(23)17(4)24-20-13-8-15(2)14-16(20)3/h8-14,17H,5-7H2,1-4H3,(H,22,23).
What are the key properties of N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide?
N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide is sourced from PubChem (CID 53266463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).